MACHINE LEARNING WEBINAR SERIES

Alloy Design Based on Artificial Intelligence and Machine Learning
Speaker: Ziyuan Rao
Wednesday December 4, 2024 at 10-11 AM CET/4-5 PM CST

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The emergence of generative Artificial Intelligence (AI) and large language models has significantly enhanced the potential of machine learning and AI in the field of materials design. For example, the success of AlphaFold in protein structure prediction has demonstrated the powerful capabilities of generative AI in uncovering complex relationships between material composition, structure, and performance. However, the challenges in alloy design are even more daunting, with a broader compositional space, more complex synthesis processes, and deeper intrinsic mechanisms. Coupled with the smaller experimental datasets, the application of AI in this field is even more challenging. Applying cutting-edge AI technologies to alloy design can significantly improve design efficiency, shorten experimental cycles, and reveal underlying mechanisms, which is a major challenge we face. 

This webinar will discuss the application of machine learning and AI in the design of high-entropy alloys, showcasing how to efficiently develop near-zero thermal expansion high-entropy Invar alloys. Attendees of the webinar will also be introduced to PDGPT, a ChatGPT-based large language model designed to streamline the acquisition of magnesium alloys Phase Diagram information with high efficiency and accuracy. Enhanced by prompt-engineering, supervised fine-tuning and retrieval-augmented generation, PDGPT leverages the predictive and reasoning capabilities of large language models along with computational phase diagram data.
 
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Thermo-Calc Software’s Machine Learning Webinar Series

This webinar is a part of Thermo-Calc Software’s Machine Learning Webinar Series, taking place between November 2024 and February 2025. The series consists of five webinars. The first is by Thermo-Calc Software’s Research and Innovation group and showcases how we are using machine learning in our tools. The other four webinars feature Thermo-Calc users presenting work they have done using our tools together with machine learning. Find more information about the other webinars below.
 

Register for the Other Webinars

CALPHAD by Machine Learning and for Machine Learning │Wednesday November 20, 2024 at 2-3 PM CET/8-9 AM EST
 
AlloyGPT: an agent-based LLM framework for the design of additively manufactured structural alloys in extreme environments │Tuesday January 21, 2025 at 2-3 PM CET/8-9 AM EST 
 
Bayesian Frameworks for Accelerated Alloy Discovery │Tuesday January 28, 2025 at 2-3 PM CET/8-9 AM EST
 
High-throughput CALPHAD calculations for screening and machine learning of refractory complex concentrated alloys Tuesday February 4, 2025 at 2-3 PM CET/8-9 AM EST
 

About the Speaker

Ziyuan Rao is an Associate Professor at Shanghai Jiao Tong University. He holds a PhD from RWTH Aachen University in Germany and has served as a postdoctoral researcher and group leader at the Max Planck Institute for Iron Research in Germany. In July 2024, he returned to China to join the School of Materials Science and Engineering at Shanghai Jiao Tong University. He has long been engaged in AI-based materials science research and has made a series of important contributions in cutting-edge fields such as and high-entropy alloys in recent years. He has published over 30 papers in journals such as Science.

Ziyuan_Rao_20240917195338
Ziyuan Rao
Associate Professor
Shanghai Jiao Tong University